1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile

C14H17ClN2O — CID 39364417

IUPAC1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O/c15-13-3-1-2-4-14(13)18-10-9-17-7-5-12(11-16)6-8-17/h1-4,12H,5-10H2
InChIKeyYZWNACUDQIGQPJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.95
Rot. Bonds4

About 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile

1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 39364417) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
PubChem CID39364417
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O/c15-13-3-1-2-4-14(13)18-10-9-17-7-5-12(11-16)6-8-17/h1-4,12H,5-10H2
InChIKeyYZWNACUDQIGQPJ-UHFFFAOYSA-N
XLogP2.95
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39382567
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39420280
1-[1-[2-(2-chlorophenoxy)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920819
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
(3R)-1-[2-(2-chlorophenoxy)ethyl]piperidin-3-amine
CID 102977398
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[2-(3-ethoxyphenoxy)ethyl]piperidine-4-carbonitrile
CID 39373253
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
(3R)-3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]oxolan-2-one
CID 95155216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile (CID 39364417) is 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile is N#CC1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is YZWNACUDQIGQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-13-3-1-2-4-14(13)18-10-9-17-7-5-12(11-16)6-8-17/h1-4,12H,5-10H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39364417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).